SCHEMBL420442

SCHEMBL420442

c1cc(-c2ccc3nc4n(c3c2)CCN(C2CCC2)CC4)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.40
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
HTR6 P50406 2/20 0.37
KDM4E B2RXH2 5/20 0.36
CDK9 P50750 2/20 0.36
AAK1 Q2M2I8 4/20 0.36
TLR4 O00206 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CYP2C9 P11712 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GAA P10253 1/20 0.35
CCNT1 O60563 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7890073 0.91 MAPT (0.45) KDM2BALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7891067 0.89 KDM2B (0.39) KDM2BALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL10176636 0.88 KDM2B (0.40) KDM2BALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL420024 0.87 KDM2B (0.43) KDM2BIRAK4CYP2C9HRH3CYP3A4
SCHEMBL422443 0.85 MAPT (0.36) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL419640 0.85 HRH3 (0.42) KDM2BALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL10176639 0.85 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL421059 0.84 HRH3 (0.41) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL420920 0.83 HRH3 (0.42) KDM2BALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL420668 0.82 HRH3 (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KDM2B 1707/4885ALDH1A1 2598/4885MAPT 738/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KDM2B 1707/4885ALDH1A1 2598/4885MAPT 738/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.